4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid

C15H14F2N2O2 — CID 115938582

IUPAC4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid
SMILESCCC(Nc1cc(C(=O)O)ccc1F)c1ccc(F)cn1
InChIInChI=1S/C15H14F2N2O2/c1-2-12(13-6-4-10(16)8-18-13)19-14-7-9(15(20)21)3-5-11(14)17/h3-8,12,19H,2H2,1H3,(H,20,21)
InChIKeyQQWOMDPOODGSCN-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.62
Rot. Bonds5

About 4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid

4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid (PubChem CID 115938582) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid
PubChem CID115938582
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid
SMILESCCC(Nc1cc(C(=O)O)ccc1F)c1ccc(F)cn1
InChIInChI=1S/C15H14F2N2O2/c1-2-12(13-6-4-10(16)8-18-13)19-14-7-9(15(20)21)3-5-11(14)17/h3-8,12,19H,2H2,1H3,(H,20,21)
InChIKeyQQWOMDPOODGSCN-UHFFFAOYSA-N
XLogP3.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid?
The IUPAC name of 4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid (CID 115938582) is 4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid?
The canonical SMILES for 4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid is CCC(Nc1cc(C(=O)O)ccc1F)c1ccc(F)cn1.
What is the InChIKey of 4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid?
The InChIKey is QQWOMDPOODGSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-2-12(13-6-4-10(16)8-18-13)19-14-7-9(15(20)21)3-5-11(14)17/h3-8,12,19H,2H2,1H3,(H,20,21).
What are the key properties of 4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid?
4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid has a molecular weight of 292.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid is sourced from PubChem (CID 115938582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).